SCHEMBL11566949

SCHEMBL11566949

OC(CNCCOc1ccc2c(c1)OCO2)COc1cccc2[nH]c3ccccc3c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 9/20 0.64
ADRB2 P07550 7/20 0.64
TLR4 O00206 5/20 0.64
ADRB1 P08588 4/20 0.64
DRD2 P14416 3/20 0.64
MAPT P10636 2/20 0.64
DNM1 Q05193 2/20 0.64
KDM4E B2RXH2 1/20 0.64
SLC22A2 O15244 1/20 0.64
SLC22A1 O15245 1/20 0.64
MLNR O43193 1/20 0.64
NR1I2 O75469 1/20 0.64
KCNK2 O95069 1/20 0.64
ABCB11 O95342 1/20 0.64
APP P05067 1/20 0.64
ABCB1 P08183 1/20 0.64
HTR1A P08908 1/20 0.64
ADRA2A P08913 1/20 0.64
ADORA3 P0DMS8 1/20 0.64
GAA P10253 1/20 0.64

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16550120 0.84 ADRB2 (0.77) ADRB3ADRB2TLR4ADRB1DRD2
SCHEMBL2996268 0.82 ADRB2 (0.75) ADRB3ADRB2TLR4ADRB1DRD2
SCHEMBL28985998 0.81 ADRB2 (0.73) ADRB3ADRB2TLR4ADRB1DRD2
SCHEMBL10000454 0.80 ADRB2 (0.78) ADRB3ADRB2TLR4ADRB1DRD2
SCHEMBL12259643 0.80 ADRB2 (0.78) ADRB3ADRB2TLR4ADRB1DRD2
SCHEMBL7410808 0.80 ADRB2 (0.42) ADRB3ADRB2TLR4ADRB1DRD2
SCHEMBL7975134 0.80 ADRB2 (0.76) ADRB3ADRB2TLR4ADRB1DRD2
SCHEMBL28985980 0.79 ADRB2 (0.73) ADRB3ADRB2TLR4ADRB1DRD2
SCHEMBL8291496 0.79 ADRB2 (0.79) ADRB3ADRB2TLR4ADRB1DRD2
SCHEMBL14364250 0.79 ADRB2 (0.82) ADRB3ADRB2TLR4ADRB1DRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0004920-A1 Derivatives of carbazolyl-4-oxypropanolamine, methods for their preparation and medicines containing them Roche Diagnostics GmbH (DE) 1979-10-31 EP disclosed